N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[2-[6-(methylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[2-[6-(methylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-(2-pyrimidylthio)acetamide Formula: C18H22N8OS2 MolecularWeight: 430.55028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C=NN2CCNC(=O)CSC3=NC=CC=N3)C(=N1)N4CCCC4

Isomeric SMILES

CSC1=NC2=C(C=NN2CCNC(=O)CSC3=NC=CC=N3)C(=N1)N4CCCC4

InChI

InChI=1S/C18H22N8OS2/c1-28-18-23-15(25-8-2-3-9-25)13-11-22-26(16(13)24-18)10-7-19-14(27)12-29-17-20-5-4-6-21-17/h4-6,11H,2-3,7-10,12H2,1H3,(H,19,27)